MTLD, a Database of Multiple Target Ligands, the Updated Version

Polypharmacology plays an important role in drug discovery and polypharmacology drug strategies provide a novel path in drug design. However, to develop a polypharmacology drug with the desired profile remains a challenge. Previously, we developed a free web-accessible database called Multiple Targe...

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Detalles Bibliográficos
Autores principales: Chen, Chao, Wu, Meng, Cen, Shan, Wu, Jianhui, Zhou, Jinming
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2017
Materias:
Communication
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6151691/
https://www.ncbi.nlm.nih.gov/pubmed/28878188
http://dx.doi.org/10.3390/molecules22091375
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author Chen, Chao
Wu, Meng
Cen, Shan
Wu, Jianhui
Zhou, Jinming
author_facet Chen, Chao
Wu, Meng
Cen, Shan
Wu, Jianhui
Zhou, Jinming
author_sort Chen, Chao
collection PubMed
description Polypharmacology plays an important role in drug discovery and polypharmacology drug strategies provide a novel path in drug design. However, to develop a polypharmacology drug with the desired profile remains a challenge. Previously, we developed a free web-accessible database called Multiple Target Ligand Database (MTLD, www.mtdcadd.com). Herein, the MTLD database has been updated, containing 2444 Multiple Target Ligands (MTLs) that bind with 21,424 binding sites from 18,231 crystal structures. Of the MTLs, 304 entries are approved drugs, and 1911 entries are drug-like compounds. Also, we added new functions such as multiple conditional search and linkage visualization. Through querying the updated database, extremely useful information for the development of polypharmacology drugs may be provided.
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spelling pubmed-61516912018-11-13 MTLD, a Database of Multiple Target Ligands, the Updated Version Chen, Chao Wu, Meng Cen, Shan Wu, Jianhui Zhou, Jinming Molecules Communication Polypharmacology plays an important role in drug discovery and polypharmacology drug strategies provide a novel path in drug design. However, to develop a polypharmacology drug with the desired profile remains a challenge. Previously, we developed a free web-accessible database called Multiple Target Ligand Database (MTLD, www.mtdcadd.com). Herein, the MTLD database has been updated, containing 2444 Multiple Target Ligands (MTLs) that bind with 21,424 binding sites from 18,231 crystal structures. Of the MTLs, 304 entries are approved drugs, and 1911 entries are drug-like compounds. Also, we added new functions such as multiple conditional search and linkage visualization. Through querying the updated database, extremely useful information for the development of polypharmacology drugs may be provided. MDPI 2017-09-06 /pmc/articles/PMC6151691/ /pubmed/28878188 http://dx.doi.org/10.3390/molecules22091375 Text en © 2017 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Communication
Chen, Chao
Wu, Meng
Cen, Shan
Wu, Jianhui
Zhou, Jinming
MTLD, a Database of Multiple Target Ligands, the Updated Version
title MTLD, a Database of Multiple Target Ligands, the Updated Version
title_full MTLD, a Database of Multiple Target Ligands, the Updated Version
title_fullStr MTLD, a Database of Multiple Target Ligands, the Updated Version
title_full_unstemmed MTLD, a Database of Multiple Target Ligands, the Updated Version
title_short MTLD, a Database of Multiple Target Ligands, the Updated Version
title_sort mtld, a database of multiple target ligands, the updated version
topic Communication
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6151691/
https://www.ncbi.nlm.nih.gov/pubmed/28878188
http://dx.doi.org/10.3390/molecules22091375
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